(-)-(R)-2-sec-butylphenol | 36383-18-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (-)-(R)-2-sec-butylphenol
• 英文别名: 2-[(2R)-2-butanyl]phenol；2-((R)-sec-Butyl)-phenol；2-[(A+/-)-sec-butyl]-phenol；2-[(2R)-butan-2-yl]phenol
• CAS: 36383-18-3
• 化学式: C₁₀H₁₄O
• 分子量: 150.221
• InChiKey: NGFPWHGISWUQOI-MRVPVSSYSA-N

物化性质

• 沸点：
  227.5±0.0 °C(Predicted)
• 密度：
  0.972±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (-)-(R)-2-sec-butylphenol 生成 2-((R)-sec-butyl)-4,6-dinitro-phenol
  参考文献：
  名称：

  Studies in Stereochemistry. XV. Effect of Configuration on Steric Inhibition of Resonance in Diastereomerically Related Compounds

  摘要：

  DOI：

  10.1021/ja01143a012
• 作为产物：
  描述：

  2-仲丁基苯酚 、 左旋樟脑-10-磺酰氯 生成 (-)-(R)-2-sec-butylphenol
  参考文献：
  名称：

  Studies in Stereochemistry. XV. Effect of Configuration on Steric Inhibition of Resonance in Diastereomerically Related Compounds

  摘要：

  DOI：

  10.1021/ja01143a012

文献信息

• Intramolecular Carbolithiation of Allylo-Lithioaryl Ethers: A New Enantioselective Synthesis of Functionalized 2,3-Dihydrobenzofurans
  作者：José Barluenga、Francisco J. Fañanás、Roberto Sanz、César Marcos

  DOI：10.1002/chem.200500377

  日期：2005.9.5

  A new and easy method for the diastereoselective synthesis of 3-functionalized 2,3-dihydrobenzofuran derivatives from allyl 2-bromoaryl ethers is described. The key step of this transformation involves an intramolecular carbolithiation reaction of allyl 2-lithioaryl ethers. The substituents in both the allyl and the aryl moieties play an important and decisive role in stopping the reaction at the benzofuran

  描述了一种从烯丙基2-溴芳基醚非对映选择性合成3-官能化的2,3-二氢苯并呋喃衍生物的新方法。该转化的关键步骤涉及烯丙基2-锂硫代芳基醚的分子内碳锂化反应。烯丙基和芳基部分中的取代基在终止在苯并呋喃处的反应中起着重要的决定性作用，从而避免了γ-消除反应。最后，该方法适合于通过使用（-）-天冬氨酸作为手性诱导剂来合成对映体富集的化合物。
• Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide
  申请人：Psomagen, Inc.

  公开号：US11424006B2

  公开（公告）日：2022-08-23

  Embodiments of a method and/or system can include administering, to a patient with one or more conditions associated with at least one of TMA, TMAO, and/or derivatives thereof, a therapeutically effective amount of a compound for affecting inhibiting one or more CutC enzymes and/or CntA enzymes associated with microorganisms from at least one taxon from a set of microorganism taxa.

  方法和/或系统的实施方案可包括向患有与 TMA、TMAO 和/或其衍生物中的至少一种相关的一种或多种疾病的患者施用治疗有效量的化合物，以影响抑制与一组微生物类群中至少一个类群的微生物相关的一种或多种 CutC 酶和/或 CntA 酶。
• TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE
  申请人：Psomagen, Inc.

  公开号：EP3668494A1

  公开（公告）日：2020-06-24
• RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES
  申请人：uBiome, Inc.

  公开号：US20190050525A1

  公开（公告）日：2019-02-14

  Embodiments of a method and/or system can include administering, to a patient with one or more conditions associated with at least one of TMA, TMAO, and/or derivatives thereof, a therapeutically effective amount of a compound for affecting inhibiting one or more CutC enzymes and/or CntA enzymes associated with microorganisms from at least one taxon from a set of microorganism taxa.
• [EN] TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE<br/>[FR] MÉDICAMENTS CIBLÉS ASSOCIÉS À LA TRIMÉTHYLAMINE ET/OU À LA TRIMÉTHYLAMINE-N-OXYDE
  申请人：UBIOME INC

  公开号：WO2019036507A1

  公开（公告）日：2019-02-21

  Embodiments of a method and/or system can include administering, to a patient with one or more conditions associated with at least one of TMA, TMAO, and/or derivatives thereof, a therapeutically effective amount of a compound for affecting inhibiting one or more CutC enzymes and/or CntA enzymes associated with microorganisms from at least one taxon from a set of microorganism taxa.